9DLW

Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41114

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-21
Detector	DECTRIS EIGER R 1M
Wavelength(s)	1.54189
Spacegroup name	P 21 21 21
Unit cell lengths	80.225, 83.882, 131.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.590 - 2.070
R-factor	0.2018
Rwork	0.200
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.956
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.590	2.110
High resolution limit [Å]	2.070	2.070
Number of reflections	52605	2423
<I/σ(I)>	7.69
Completeness [%]	95.8
Redundancy	4.4
CC(1/2)	0.989	0.448

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	294	1.8 M Sodium phosphate monobasic monohydrate, potassium phosphate dibasic / pH 6.9